A library of approximate exchange-correlation functionals
XCFun is a library of approximate exchange-correlation functionals,
used in the Density Functional Theory description of electronic
structure. Because XCFun is based on automatic differentiation the
library can provide arbitrary order derivatives of all supported
functionals. Only the exchange-correlation energy expression needs to
be implemented, which is a huge gain in productivity (and also
efficiency). For this reason the library is very well suited for high
order time dependent DFT or for the development of new functionals.
Paths come from the repository package-file index for the observed builds. They describe archive/package associations, not every file that will exist on a running system after maintainer scripts, alternatives, generated state, diversions, or installation choices.
Each row is recorded package-index metadata for one version, architecture, suite, and repository. Names, URLs, and sizes are source-reported; a link is a potentially mutable retrieval location, not an OpenFactory redistribution claim or proof that OpenFactory retained the artifact bytes.